![((1R,2R)-2-(((3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7- methanoisoindol-2-yl)methyl)cyclohexyl)methyl 4-(benzo[d] isothiazol-3-yl)piperazine-1-carboxylate structure, CAS 1807983-62-5](/structures/210000/180419_1_1807983_62_5.png)
CAS Number1807983-62-5
Synonyms((1R,2R)-2-(((3AR,4R,7S,7AS)-1,3-dioxoctahydro-2H-4,7-methylisoindol-2-yl)methyl)cyclohexyl)methyl4-benzo[D]isothiazol-3-yl)piperazine-1-carboxylate; Lurasidone Impurity 3; Lurasidone Impurity 18
Molecular FormulaC29H36N4O4S
Molecular Weight492.69
Density1.319±0.06 g/cm3(Predicted)
Boiling Point671.1±55.0 °C(Predicted)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1807983-62-5 |
| Catalog No. | 2A-3179630 |
| Chinese Name | 鲁拉西酮杂质18 |
| Synonyms | ((1R,2R)-2-(((3AR,4R,7S,7AS)-1,3-dioxoctahydro-2H-4,7-methylisoindol-2-yl)methyl)cyclohexyl)methyl4-benzo[D]isothiazol-3-yl)piperazine-1-carboxylate; Lurasidone Impurity 3; Lurasidone Impurity 18 |
| Molecular Formula | C29H36N4O4S |
| Molecular Weight | 492.69 |
| Density | 1.319±0.06 g/cm3(Predicted) |
| Boiling Point | 671.1±55.0 °C(Predicted) |
| PubChem ID | 470442690 |
| MDL Number | C28H36N4O2S |
| SMILES | O=C(OCC1CCCCC1CN1C(=O)C2C3CCC(C3)C2C1=O)N1CCN(c2nsc3ccccc23)CC1 |
| InChI | InChI=1S/C29H36N4O4S/c34-27-24-18-9-10-19(15-18)25(24)28(35)33(27)16-20-5-1-2-6-21(20)17-37-29(36)32-13-11-31(12-14-32)26-22-7-3-4-8-23(22)38-30-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24-,25+/m0/s1 |
| InChI Key | YHXSPLZCGXPWJO-GGYSQDOYSA-N |
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA